CID 3707243

Flavan-3-ol

Structural Information

Molecular Formula
C15H14O2
SMILES
C1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)O
InChI
InChI=1S/C15H14O2/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2
InChIKey
OEIJRRGCTVHYTH-UHFFFAOYSA-N
Compound name
2-phenyl-3,4-dihydro-2H-chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

613
References

10383
Patents

226.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.106656 148.2
[M+Na]+ 249.088598 155.4
[M-H]- 225.092104 155.0
[M+NH4]+ 244.133203 165.2
[M+K]+ 265.062538 152.2
[M+H-H2O]+ 209.096640 141.1
[M+HCOO]- 271.097581 167.3
[M+CH3COO]- 285.113231 160.6
[M+Na-2H]- 247.074046 155.9
[M]+ 226.09883142 146.0
[M]- 226.09992858 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe